CID 165999828

1-[1-(trifluoromethyl)-1h-1,3-benzodiazol-2-yl]methanamine hydrochloride

Structural Information

Molecular Formula
C9H8F3N3
SMILES
C1=CC=C2C(=C1)N=C(N2C(F)(F)F)CN
InChI
InChI=1S/C9H8F3N3/c10-9(11,12)15-7-4-2-1-3-6(7)14-8(15)5-13/h1-4H,5,13H2
InChIKey
ZHCZPYZRAVRFOV-UHFFFAOYSA-N
Compound name
[1-(trifluoromethyl)benzimidazol-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.06703 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.07431 140.7
[M+Na]+ 238.05625 152.3
[M-H]- 214.05975 139.3
[M+NH4]+ 233.10085 159.6
[M+K]+ 254.03019 147.9
[M+H-H2O]+ 198.06429 131.5
[M+HCOO]- 260.06523 160.4
[M+CH3COO]- 274.08088 188.2
[M+Na-2H]- 236.04170 147.5
[M]+ 215.06648 137.8
[M]- 215.06758 137.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.