CID 4160234

26211-80-3

Structural Information

Molecular Formula
C16H12ClNO
SMILES
CC1=C(C2=CC=CC=C2N1)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H12ClNO/c1-10-15(13-4-2-3-5-14(13)18-10)16(19)11-6-8-12(17)9-7-11/h2-9,18H,1H3
InChIKey
QEUVBMBDQDXWCX-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(2-methyl-1H-indol-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

269.06073 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.06801 159.3
[M+Na]+ 292.04995 170.6
[M-H]- 268.05345 165.1
[M+NH4]+ 287.09455 177.7
[M+K]+ 308.02389 163.1
[M+H-H2O]+ 252.05799 152.6
[M+HCOO]- 314.05893 177.0
[M+CH3COO]- 328.07458 172.2
[M+Na-2H]- 290.03540 163.3
[M]+ 269.06018 162.3
[M]- 269.06128 162.3
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