CID 28973369

891831-55-3

Structural Information

Molecular Formula
C8H7F2N3
SMILES
C1=CC2=C(C=C1N)NC(=N2)C(F)F
InChI
InChI=1S/C8H7F2N3/c9-7(10)8-12-5-2-1-4(11)3-6(5)13-8/h1-3,7H,11H2,(H,12,13)
InChIKey
UTJQNINOXMUSDN-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)-3H-benzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

183.0608 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.06808 132.5
[M+Na]+ 206.05002 143.3
[M-H]- 182.05352 131.1
[M+NH4]+ 201.09462 151.8
[M+K]+ 222.02396 138.8
[M+H-H2O]+ 166.05806 124.2
[M+HCOO]- 228.05900 152.8
[M+CH3COO]- 242.07465 145.4
[M+Na-2H]- 204.03547 138.2
[M]+ 183.06025 128.6
[M]- 183.06135 128.6
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