CID 9837701

1-[2,5-bis(trifluoromethyl)phenyl]methanamine hydrochloride

Structural Information

Molecular Formula
C9H7F6N
SMILES
C1=CC(=C(C=C1C(F)(F)F)CN)C(F)(F)F
InChI
InChI=1S/C9H7F6N/c10-8(11,12)6-1-2-7(9(13,14)15)5(3-6)4-16/h1-3H,4,16H2
InChIKey
IFPBPVAFNHXNFN-UHFFFAOYSA-N
Compound name
[2,5-bis(trifluoromethyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

243.04826 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.05554 145.1
[M+Na]+ 266.03748 154.9
[M-H]- 242.04098 141.2
[M+NH4]+ 261.08208 162.4
[M+K]+ 282.01142 150.8
[M+H-H2O]+ 226.04552 135.0
[M+HCOO]- 288.04646 160.4
[M+CH3COO]- 302.06211 194.3
[M+Na-2H]- 264.02293 148.8
[M]+ 243.04771 135.3
[M]- 243.04881 135.3
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

patents stripe