CID 2735105

2-(4-nitrophenoxy)tetradecanoyl chloride

Structural Information

Molecular Formula
C20H30ClNO4
SMILES
CCCCCCCCCCCCC(C(=O)Cl)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C20H30ClNO4/c1-2-3-4-5-6-7-8-9-10-11-12-19(20(21)23)26-18-15-13-17(14-16-18)22(24)25/h13-16,19H,2-12H2,1H3
InChIKey
ZLIHXFIEQYYLQD-UHFFFAOYSA-N
Compound name
2-(4-nitrophenoxy)tetradecanoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

383.18634 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.19362 198.1
[M+Na]+ 406.17556 200.6
[M-H]- 382.17906 199.6
[M+NH4]+ 401.22016 209.6
[M+K]+ 422.14950 191.9
[M+H-H2O]+ 366.18360 195.5
[M+HCOO]- 428.18454 214.2
[M+CH3COO]- 442.20019 215.0
[M+Na-2H]- 404.16101 197.5
[M]+ 383.18579 204.1
[M]- 383.18689 204.1
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