CID 81449901

4,6-difluoro-1h-1,3-benzodiazol-2-amine

Structural Information

Molecular Formula
C7H5F2N3
SMILES
C1=C(C=C(C2=C1NC(=N2)N)F)F
InChI
InChI=1S/C7H5F2N3/c8-3-1-4(9)6-5(2-3)11-7(10)12-6/h1-2H,(H3,10,11,12)
InChIKey
HBDHBWGPJFKWGM-UHFFFAOYSA-N
Compound name
4,6-difluoro-1H-benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

169.04515 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.05243 127.7
[M+Na]+ 192.03437 140.1
[M-H]- 168.03787 126.6
[M+NH4]+ 187.07897 147.9
[M+K]+ 208.00831 135.3
[M+H-H2O]+ 152.04241 119.7
[M+HCOO]- 214.04335 149.3
[M+CH3COO]- 228.05900 141.4
[M+Na-2H]- 190.01982 134.3
[M]+ 169.04460 124.5
[M]- 169.04570 124.5
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