CID 22399512

2-amino-6-chlorobenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
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

literature stripe

Patent stripe

patents stripe