CID 2393508

2-{[(2-chlorophenyl)amino]methyl}phenol

Structural Information

Molecular Formula
C13H12ClNO
SMILES
C1=CC=C(C(=C1)CNC2=CC=CC=C2Cl)O
InChI
InChI=1S/C13H12ClNO/c14-11-6-2-3-7-12(11)15-9-10-5-1-4-8-13(10)16/h1-8,15-16H,9H2
InChIKey
JICVFOZMJQFGKJ-UHFFFAOYSA-N
Compound name
2-[(2-chloroanilino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

233.06075 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.06803 149.1
[M+Na]+ 256.04997 157.6
[M-H]- 232.05347 154.6
[M+NH4]+ 251.09457 167.0
[M+K]+ 272.02391 151.6
[M+H-H2O]+ 216.05801 143.0
[M+HCOO]- 278.05895 169.1
[M+CH3COO]- 292.07460 189.4
[M+Na-2H]- 254.03542 155.7
[M]+ 233.06020 149.7
[M]- 233.06130 149.7
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