CID 23510442

2-amino-3-chlorobenzaldehyde

Structural Information

Molecular Formula
C7H6ClNO
SMILES
C1=CC(=C(C(=C1)Cl)N)C=O
InChI
InChI=1S/C7H6ClNO/c8-6-3-1-2-5(4-10)7(6)9/h1-4H,9H2
InChIKey
FVFGTMXRHNSEMC-UHFFFAOYSA-N
Compound name
2-amino-3-chlorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

155.0138 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.021076 127.0
[M+Na]+ 178.003018 137.4
[M-H]- 154.006524 130.9
[M+NH4]+ 173.047623 148.9
[M+K]+ 193.976958 133.5
[M+H-H2O]+ 138.011060 122.8
[M+HCOO]- 200.012001 148.5
[M+CH3COO]- 214.027651 176.6
[M+Na-2H]- 175.988466 133.7
[M]+ 155.01325142 127.9
[M]- 155.01434858 127.9
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