CID 45034

63887-21-8

Structural Information

Molecular Formula
C10H11ClN2O
SMILES
C1CC1NC(=O)C2=CC(=C(C=C2)Cl)N
InChI
InChI=1S/C10H11ClN2O/c11-8-4-1-6(5-9(8)12)10(14)13-7-2-3-7/h1,4-5,7H,2-3,12H2,(H,13,14)
InChIKey
NNXCOYJTMBYPGP-UHFFFAOYSA-N
Compound name
3-amino-4-chloro-N-cyclopropylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.05598 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.063256 138.6
[M+Na]+ 233.045198 148.3
[M-H]- 209.048704 145.9
[M+NH4]+ 228.089803 153.0
[M+K]+ 249.019138 143.0
[M+H-H2O]+ 193.053240 133.1
[M+HCOO]- 255.054181 159.9
[M+CH3COO]- 269.069831 192.3
[M+Na-2H]- 231.030646 143.6
[M]+ 210.05543142 140.6
[M]- 210.05652858 140.6
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

No patent data available for this compound.