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

3
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

literature stripe

Patent stripe

patents stripe