CID 108828

P-pentylbiphenyl-p'-carbonyl chloride

Structural Information

Molecular Formula
C18H19ClO
SMILES
CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)Cl
InChI
InChI=1S/C18H19ClO/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h6-13H,2-5H2,1H3
InChIKey
PAXFBGZCRAEDBM-UHFFFAOYSA-N
Compound name
4-(4-pentylphenyl)benzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

286.11246 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.11974 166.5
[M+Na]+ 309.10168 174.1
[M-H]- 285.10518 172.7
[M+NH4]+ 304.14628 183.1
[M+K]+ 325.07562 167.8
[M+H-H2O]+ 269.10972 159.5
[M+HCOO]- 331.11066 184.4
[M+CH3COO]- 345.12631 202.0
[M+Na-2H]- 307.08713 169.3
[M]+ 286.11191 170.1
[M]- 286.11301 170.1
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.