CID 20150935

14-methylpentadecanoyl chloride

Structural Information

Molecular Formula
C16H31ClO
SMILES
CC(C)CCCCCCCCCCCCC(=O)Cl
InChI
InChI=1S/C16H31ClO/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h15H,3-14H2,1-2H3
InChIKey
IDFHDQVZMFKVIW-UHFFFAOYSA-N
Compound name
14-methylpentadecanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

274.20633 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.21361 172.7
[M+Na]+ 297.19555 176.5
[M-H]- 273.19905 171.3
[M+NH4]+ 292.24015 190.0
[M+K]+ 313.16949 172.1
[M+H-H2O]+ 257.20359 167.5
[M+HCOO]- 319.20453 187.2
[M+CH3COO]- 333.22018 203.8
[M+Na-2H]- 295.18100 171.5
[M]+ 274.20578 179.1
[M]- 274.20688 179.1
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

patents stripe