CID 198633

89426-96-0

Structural Information

Molecular Formula
C8H3ClF4N2
SMILES
C1=C2C(=CC(=C1F)Cl)N=C(N2)C(F)(F)F
InChI
InChI=1S/C8H3ClF4N2/c9-3-1-5-6(2-4(3)10)15-7(14-5)8(11,12)13/h1-2H,(H,14,15)
InChIKey
LRLCGSNWJZYZLV-UHFFFAOYSA-N
Compound name
5-chloro-6-fluoro-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.9921 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.99938 140.0
[M+Na]+ 260.98132 154.0
[M-H]- 236.98482 136.6
[M+NH4]+ 256.02592 158.8
[M+K]+ 276.95526 147.2
[M+H-H2O]+ 220.98936 131.2
[M+HCOO]- 282.99030 152.3
[M+CH3COO]- 297.00595 186.2
[M+Na-2H]- 258.96677 145.5
[M]+ 237.99155 137.7
[M]- 237.99265 137.7
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.