CID 319600

(5-chloro-2-nitrosophenyl)(phenyl)methanone

Structural Information

Molecular Formula
C13H8ClNO2
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)N=O
InChI
InChI=1S/C13H8ClNO2/c14-10-6-7-12(15-17)11(8-10)13(16)9-4-2-1-3-5-9/h1-8H
InChIKey
RGIBTZJEIBKXGA-UHFFFAOYSA-N
Compound name
(5-chloro-2-nitrosophenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.02435 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.03163 149.8
[M+Na]+ 268.01357 159.3
[M-H]- 244.01707 158.3
[M+NH4]+ 263.05817 168.3
[M+K]+ 283.98751 155.1
[M+H-H2O]+ 228.02161 143.0
[M+HCOO]- 290.02255 172.3
[M+CH3COO]- 304.03820 195.7
[M+Na-2H]- 265.99902 156.1
[M]+ 245.02380 153.6
[M]- 245.02490 153.6
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.