CID 2735598

19-bromononadecanoic acid

Structural Information

Molecular Formula
C19H37BrO2
SMILES
C(CCCCCCCCCBr)CCCCCCCCC(=O)O
InChI
InChI=1S/C19H37BrO2/c20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19(21)22/h1-18H2,(H,21,22)
InChIKey
FLMPHTLDVWMADF-UHFFFAOYSA-N
Compound name
19-bromononadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

376.1977 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.20498 194.1
[M+Na]+ 399.18692 199.0
[M-H]- 375.19042 193.2
[M+NH4]+ 394.23152 209.3
[M+K]+ 415.16086 185.4
[M+H-H2O]+ 359.19496 192.2
[M+HCOO]- 421.19590 209.3
[M+CH3COO]- 435.21155 215.5
[M+Na-2H]- 397.17237 193.4
[M]+ 376.19715 217.6
[M]- 376.19825 217.6
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

patents stripe