CID 393213

Nsc694701

Structural Information

Molecular Formula
C12H2Br4Cl2
SMILES
C1=C(C2=C3C(=C1Br)C(=C(C3=C(C=C2Cl)Br)Br)Br)Cl
InChI
InChI=1S/C12H2Br4Cl2/c13-3-1-5(17)9-6(18)2-4(14)8-10(9)7(3)11(15)12(8)16/h1-2H
InChIKey
VVKJNAVPBDWOPB-UHFFFAOYSA-N
Compound name
1,2,3,8-tetrabromo-5,6-dichloroacenaphthylene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

531.6267 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.63398 166.1
[M+Na]+ 554.61592 174.8
[M-H]- 530.61942 170.9
[M+NH4]+ 549.66052 177.4
[M+K]+ 570.58986 161.6
[M+H-H2O]+ 514.62396 184.6
[M+HCOO]- 576.62490 168.2
[M+CH3COO]- 590.64055 173.6
[M+Na-2H]- 552.60137 167.4
[M]+ 531.62615 205.5
[M]- 531.62725 205.5
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

No patent data available for this compound.