CID 21286299

958863-35-9

Structural Information

Molecular Formula
C9H6F2N2O
SMILES
CN1C2=CC(=C(C=C2N=C1C=O)F)F
InChI
InChI=1S/C9H6F2N2O/c1-13-8-3-6(11)5(10)2-7(8)12-9(13)4-14/h2-4H,1H3
InChIKey
WXUABYQABLFAEC-UHFFFAOYSA-N
Compound name
5,6-difluoro-1-methylbenzimidazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

196.04482 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.052096 134.3
[M+Na]+ 219.034038 148.3
[M-H]- 195.037544 135.2
[M+NH4]+ 214.078643 154.9
[M+K]+ 235.007978 144.2
[M+H-H2O]+ 179.042080 126.2
[M+HCOO]- 241.043021 156.6
[M+CH3COO]- 255.058671 185.0
[M+Na-2H]- 217.019486 140.1
[M]+ 196.04427142 136.4
[M]- 196.04536858 136.4
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