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]+ 197.05210 134.3
[M+Na]+ 219.03404 148.3
[M-H]- 195.03754 135.2
[M+NH4]+ 214.07864 154.9
[M+K]+ 235.00798 144.2
[M+H-H2O]+ 179.04208 126.2
[M+HCOO]- 241.04302 156.6
[M+CH3COO]- 255.05867 185.0
[M+Na-2H]- 217.01949 140.1
[M]+ 196.04427 136.4
[M]- 196.04537 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