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
1
Annotation Hits

0
References

18
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 192.5
[M+Na]+ 406.17556 203.3
[M+NH4]+ 401.22016 198.2
[M+K]+ 422.14950 198.0
[M-H]- 382.17906 194.3
[M+Na-2H]- 404.16101 195.3
[M]+ 383.18579 194.6
[M]- 383.18689 194.6
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