CID 1113007

339293-46-8

Structural Information

Molecular Formula
C9H8ClN3O2
SMILES
C1=CC2=C(C=C1NC(=O)CCl)NC(=O)N2
InChI
InChI=1S/C9H8ClN3O2/c10-4-8(14)11-5-1-2-6-7(3-5)13-9(15)12-6/h1-3H,4H2,(H,11,14)(H2,12,13,15)
InChIKey
NABDJTSSZGWKLV-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

225.0305 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.03778 143.7
[M+Na]+ 248.01972 154.6
[M-H]- 224.02322 143.8
[M+NH4]+ 243.06432 161.6
[M+K]+ 263.99366 148.4
[M+H-H2O]+ 208.02776 137.7
[M+HCOO]- 270.02870 161.0
[M+CH3COO]- 284.04435 182.6
[M+Na-2H]- 246.00517 150.0
[M]+ 225.02995 144.7
[M]- 225.03105 144.7
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

patents stripe