CID 3718045

1-(4-bromophenoxy)-2-chloro-4-nitrobenzene

Structural Information

Molecular Formula
C12H7BrClNO3
SMILES
C1=CC(=CC=C1OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)Br
InChI
InChI=1S/C12H7BrClNO3/c13-8-1-4-10(5-2-8)18-12-6-3-9(15(16)17)7-11(12)14/h1-7H
InChIKey
OJCPNNLSNDNXLX-UHFFFAOYSA-N
Compound name
1-(4-bromophenoxy)-2-chloro-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

326.92978 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.93706 162.3
[M+Na]+ 349.91900 174.1
[M-H]- 325.92250 171.6
[M+NH4]+ 344.96360 180.2
[M+K]+ 365.89294 157.9
[M+H-H2O]+ 309.92704 166.1
[M+HCOO]- 371.92798 181.3
[M+CH3COO]- 385.94363 196.3
[M+Na-2H]- 347.90445 170.1
[M]+ 326.92923 183.4
[M]- 326.93033 183.4
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